(2-methylsulfanylphenyl)-phenylmethanone

C14H12OS — CID 14145188

IUPAC(2-methylsulfanylphenyl)-phenylmethanone
SMILESCSc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C14H12OS/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyRAXZMGHNKSLALN-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.64
Rot. Bonds3

About (2-methylsulfanylphenyl)-phenylmethanone

(2-methylsulfanylphenyl)-phenylmethanone (PubChem CID 14145188) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-phenylmethanone
PubChem CID14145188
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC Name(2-methylsulfanylphenyl)-phenylmethanone
SMILESCSc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C14H12OS/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyRAXZMGHNKSLALN-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid
CID 23586491
(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone
CID 70476980
2-methylsulfanylbenzoate
CID 6932478
(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 114963550
[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone
CID 157369619
[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
CID 174908112
(2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724285
2-methyl-1-(2-methylsulfanylphenyl)propan-1-one
CID 19361702
cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone
CID 102043267
(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
CID 115781785
(5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 115793452
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-phenylmethanone?
The IUPAC name of (2-methylsulfanylphenyl)-phenylmethanone (CID 14145188) is (2-methylsulfanylphenyl)-phenylmethanone.
What is the SMILES notation for (2-methylsulfanylphenyl)-phenylmethanone?
The canonical SMILES for (2-methylsulfanylphenyl)-phenylmethanone is CSc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (2-methylsulfanylphenyl)-phenylmethanone?
The InChIKey is RAXZMGHNKSLALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of (2-methylsulfanylphenyl)-phenylmethanone?
(2-methylsulfanylphenyl)-phenylmethanone has a molecular weight of 228.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-phenylmethanone is sourced from PubChem (CID 14145188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).